In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 24 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.37 | 3.78 | -16.75 | 3 | 9 | 0 | 120 | 395.217 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 4.16 | -39.49 | 4 | 9 | 1 | 122 | 396.225 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.